We solve Poissons equation using new multigrid algorithms that converge rapidly. The novel feature of the 2D and 3D algorithms are the use of extra diagonal grids in the multigrid hierarchy for a much richer and effective communication between the levels of the multigrid. Numerical experiments solving Poissons equation in the unit square and unit cube show simpl
In this paper a method is presented for evaluating the convolution of the Greens function for the Laplace operator with a specified function $rho(vec x)$ at all grid points in a rectangular domain $Omega subset {mathrm R}^{d}$ ($d = 1,2,3$), i.e. a solution of Poissons equation in an infinite domain. 4th and 6th ord
We present a new computational scheme that enables efficient and reliable Quantitative Trait Loci (QTL) scans for experimental populations. Using a standard brute-force exhaustive search effectively prohibits accurate QTL scans involving more than two loci to be performed in practice, at least if permutation testing is used to determine significance. Some more elaborate global optimization approaches, e.g. DIRECT, have earlier been adopted to QTL search problems. Dramatic speedups have been reported for high-dimensional scans. However, since a heuristic termination criterion must be used in these types of algorithms the accuracy of the optimization process cannot be guaranteed. Indeed, earlier results show that a small bias in the significance thresholds is sometimes introduced. Our new optimization scheme, PruneDIRECT, is based on an analysis leading to a computable (Lipschitz) bound on the slope of a transformed objective function. The bound is derived for both infinite size and finite size populations. Introducing a Lipschitz bound in DIRECT leads to an algorithm related to classical Lipschitz optimization. Regions in the search space can be permanently excluded (pruned) during the optimization process. Heuristic termination criteria can thus be avoided. Hence, PruneDIRECT has a well-defined error bound and can in practice be guaranteed to be equivalent to a corresponding exhaustive search. We present simulation results that show that for simultaneous mapping of three QTL using permutation testing, PruneDIRECT is typically more than 50 times faster than exhaustive search. The speedup is higher for stronger QTL. This could be used to quickly detect strong candidate eQTL networks.
We consider the problem of computing approximate solution of Poisson equation in the low-parametric tensor formats. We propose a new algorithm to compute the solution based on the cross approximation algorithm in the frequency space, and it has better complexity with respect to ranks in comparison with standard algorithms, which are based on the exponential sums approximation. To illustrate the effectiveness of our solver, we incorporate into a Uzawa solver for the Stokes problem on semi-staggered grid as a subsolver. The resulting solver outperforms the standard method for $n geq 256$.
We present a multigrid scheme for the solution of finite-element Hartree-Fock equations for diatomic molecules. It is shown to be fast and accurate, the time effort depending linearly on the number of variables. Results are given for the molecules LiH, BH, N_2 and for the Be atom in our molecular grid which agrees very well with accurate values from an atomic code. Highest accuracies were obtained by applying an extrapolation scheme; we compare with other numerical methods. For N_2 we get an accuracy below 1 nHartree.
The parallel full approximation scheme in space and time (PFASST) introduced by Emmett and Minion in 2012 is an iterative strategy for the temporal parallelization of ODEs and discretized PDEs. As the name suggests, PFASST is similar in spirit to a space-time FAS multigrid method performed over multiple time-steps in parallel. However, since the original focus of PFASST has been on the performance of the method in terms of time parallelism, the solution of any spatial system arising from the use of implicit or semi-implicit temporal methods within PFASST have simply been assumed to be solved to some desired accuracy completely at each sub-step and each iteration by some unspecified procedure. It hence is natural to investigate how iterative solvers in the spatial dimensions can be interwoven with the PFASST iterations and whether this strategy leads to a more efficient overall approach. This paper presents an initial investigation on the relative performance of different strategies for coupling PFASST iterations with multigrid methods for the implicit treatment of diffusion terms in PDEs. In particular, we compare full accuracy multigrid solves at each sub-step with a small fixed number of multigrid V-cycles. This reduces the cost of each PFASST iteration at the possible expense of a corresponding increase in the number of PFASST iterations needed for convergence. Parallel efficiency of the resulting methods is explored through numerical examples.